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(4E)-2-(1,3-benzothiazol-2-yl)-4-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]methylene]-5-(trifluoromethyl)-2-pyrazolin-3-one
SpectraBase Compound ID BP8R7rkH5R
InChI InChI=1S/C26H16F3N5OS2/c1-14-6-11-19-21(12-14)36-23(31-19)15-7-9-16(10-8-15)30-13-17-22(26(27,28)29)33-34(24(17)35)25-32-18-4-2-3-5-20(18)37-25/h2-13,30H,1H3/b17-13+
InChIKey LYSRBKHBXIYZEU-GHRIWEEISA-N
Mol Weight 535.56 g/mol
Molecular Formula C26H16F3N5OS2
Exact Mass 535.074837 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 47QpclmfD29
Name (4E)-2-(1,3-benzothiazol-2-yl)-4-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]methylene]-5-(trifluoromethyl)-2-pyrazolin-3-one
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Formula C26H16F3N5OS2
InChI InChI=1S/C26H16F3N5OS2/c1-14-6-11-19-21(12-14)36-23(31-19)15-7-9-16(10-8-15)30-13-17-22(26(27,28)29)33-34(24(17)35)25-32-18-4-2-3-5-20(18)37-25/h2-13,30H,1H3/b17-13+
InChIKey LYSRBKHBXIYZEU-GHRIWEEISA-N
Molecular Weight 535.563 g/mol
SMILES N(\C=C/1C(=NN(C1=O)c1nc2ccccc2s1)C(F)(F)F)c1ccc(cc1)-c1nc2ccc(cc2s1)C
SPLASH splash10-0ffw-9660000000-b0ba934ae2b874d7f648
Synonyms (4E)-2-(1,3-benzothiazol-2-yl)-4-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]methylene]-5-(trifluoromethyl)pyrazol-3-one (4E)-2-(1,3-benzothiazol-2-yl)-4-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]methylidene]-5-(trifluoromethyl)-3-pyrazolone (4E)-2-(1,3-benzothiazol-2-yl)-4-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]methylidene]-5-(trifluoromethyl)pyrazol-3-one (4E)-2-(1,3-benzothiazol-2-yl)-4-[[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]methylidene]-5-(trifluoromethyl)pyrazol-3-one
Wiley ID 1458498